From cbab64174276f74616506b3ae2137200dab1aa5c Mon Sep 17 00:00:00 2001
From: Vickie Lynch <lynchve@ornl.gov>
Date: Wed, 12 Jun 2019 12:22:09 -0400
Subject: [PATCH] Refs #25891 expose getMaxOrder to python
---
Framework/Crystal/src/IndexPeaks.cpp | 3 +--
.../PythonInterface/mantid/geometry/src/Exports/UnitCell.cpp | 3 +++
docs/source/release/v4.1.0/diffraction.rst | 2 ++
3 files changed, 6 insertions(+), 2 deletions(-)
diff --git a/Framework/Crystal/src/IndexPeaks.cpp b/Framework/Crystal/src/IndexPeaks.cpp
index d7f754e97e2..6d5e6972d26 100644
--- a/Framework/Crystal/src/IndexPeaks.cpp
+++ b/Framework/Crystal/src/IndexPeaks.cpp
@@ -204,8 +204,6 @@ void IndexPeaks::exec() {
iteration++;
}
- g_log.notice() << "Maximum Order: " << o_lattice.getMaxOrder() << '\n';
-
if (o_lattice.getMaxOrder() ==
0) // If data not modulated, recalculate fractional HKL
{
@@ -236,6 +234,7 @@ void IndexPeaks::exec() {
}
}
} else {
+ g_log.notice() << "Maximum Order: " << o_lattice.getMaxOrder() << '\n';
int ModDim = 0;
int main_indexed = 0;
int sate_indexed = 0;
diff --git a/Framework/PythonInterface/mantid/geometry/src/Exports/UnitCell.cpp b/Framework/PythonInterface/mantid/geometry/src/Exports/UnitCell.cpp
index cfc30914d48..fb7a74b8612 100644
--- a/Framework/PythonInterface/mantid/geometry/src/Exports/UnitCell.cpp
+++ b/Framework/PythonInterface/mantid/geometry/src/Exports/UnitCell.cpp
@@ -351,6 +351,9 @@ void export_UnitCell() {
"right-handed coordinate system and using the Busing-Levy "
"convention. This will return a :class:`numpy.ndarray` with shape "
"``(3,3)``.")
+ .def("getMaxOrder", &UnitCell::getMaxOrder, arg("self"),
+ "Returns the number of modulation vectorsell. This will return an "
+ "int.")
.def("recalculateFromGstar", &recalculateFromGstar,
(arg("self"), arg("NewGstar")),
"Recalculate the unit cell parameters from a metric tensor. This "
diff --git a/docs/source/release/v4.1.0/diffraction.rst b/docs/source/release/v4.1.0/diffraction.rst
index 218d414d28f..e6522dfd503 100644
--- a/docs/source/release/v4.1.0/diffraction.rst
+++ b/docs/source/release/v4.1.0/diffraction.rst
@@ -82,6 +82,8 @@ Improvements
- :ref:`DeltaPDF3D <algm-DeltaPDF3D>` has a new method for peak removal, KAREN (K-space Algorithmic REconstructioN)
+- Maximum order of modulated vectors is now available to python: ws.sample().getOrientedLattice().getMaxOrder()
+
Imaging
-------
--
GitLab